(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one

C36H28F3NO2 — CID 149182149

IUPAC(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one
SMILESCOc1ccc2cc(-c3cccnc3[C@@H](CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)ccc2c1
InChIInChI=1S/C36H28F3NO2/c1-42-33-11-9-24-16-26(7-5-25(24)19-33)34-3-2-12-40-36(34)28(13-22-14-30(38)20-31(39)15-22)18-32(41)17-27-6-4-23-8-10-29(37)21-35(23)27/h2-3,5-12,14-16,19-21,28H,4,13,17-18H2,1H3/t28-/m1/s1
InChIKeyXBEAJGJCZCVFPW-MUUNZHRXSA-N
MW563.62 g/mol
LogP8.64
Rot. Bonds9

About (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one (PubChem CID 149182149) has the molecular formula C36H28F3NO2 and a molecular weight of 563.62 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one
PubChem CID149182149
Molecular FormulaC36H28F3NO2
Molecular Weight563.62 g/mol
Exact Mass563.21
IUPAC Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one
SMILESCOc1ccc2cc(-c3cccnc3[C@@H](CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)ccc2c1
InChIInChI=1S/C36H28F3NO2/c1-42-33-11-9-24-16-26(7-5-25(24)19-33)34-3-2-12-40-36(34)28(13-22-14-30(38)20-31(39)15-22)18-32(41)17-27-6-4-23-8-10-29(37)21-35(23)27/h2-3,5-12,14-16,19-21,28H,4,13,17-18H2,1H3/t28-/m1/s1
InChIKeyXBEAJGJCZCVFPW-MUUNZHRXSA-N
XLogP8.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxy-7H-dibenzo(de,h)quinolin-7-one
CID 15634400
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
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3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
Jwh-367
CID 44418330
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
3-(6-Methoxy-3-methylnaphthalen-2-yl)pyridine
CID 44586852
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
3-(7-Methoxynaphthalen-2-yl)pyridine
CID 11708478
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one (CID 149182149) is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one is COc1ccc2cc(-c3cccnc3[C@@H](CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)ccc2c1.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one?
The InChIKey is XBEAJGJCZCVFPW-MUUNZHRXSA-N. The full InChI is InChI=1S/C36H28F3NO2/c1-42-33-11-9-24-16-26(7-5-25(24)19-33)34-3-2-12-40-36(34)28(13-22-14-30(38)20-31(39)15-22)18-32(41)17-27-6-4-23-8-10-29(37)21-35(23)27/h2-3,5-12,14-16,19-21,28H,4,13,17-18H2,1H3/t28-/m1/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one?
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one has a molecular weight of 563.62 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(6-methoxynaphthalen-2-yl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 149182149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).